UCSF

ZINC21578798

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 30 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.54 9.3 -64.94 4 7 1 94 404.494 6
Hi High (pH 8-9.5) 2.54 7.08 -26.26 3 7 0 93 403.486 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )